4-[[4-(4-methoxyphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]methyl]morpholin-4-ium chloride

Systemtic Name: 4-[[4-(4-methoxyphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]methyl]morpholin-4-ium chloride Openeye Name: 4-[[4-(4-methoxyphenyl)-2-(2-thienyl)-4H-chromen-3-yl]methyl]morpholin-4-ium chloride CAS Name: 4-[[4-(4-methoxyphenyl)-2-thiophen-2-yl-4H-1-benzopyran-3-yl]methyl]morpholin-4-ium chloride IUPAC Name: 4-[[4-(4-methoxyphenyl)-2-thiophen-2-yl-4H-chromen-3-yl]methyl]morpholin-4-ium chloride Traditional Name: 4-[[4-(4-methoxyphenyl)-2-(2-thienyl)-4H-chromen-3-yl]methyl]morpholin-4-ium chloride Formula: C25H26ClNO3S MolecularWeight: 455.99684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C3=CC=CC=C3OC(=C2C[NH+]4CCOCC4)C5=CC=CS5.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)C2C3=CC=CC=C3OC(=C2C[NH+]4CCOCC4)C5=CC=CS5.[Cl-]

InChI

InChI=1S/C25H25NO3S.ClH/c1-27-19-10-8-18(9-11-19)24-20-5-2-3-6-22(20)29-25(23-7-4-16-30-23)21(24)17-26-12-14-28-15-13-26;/h2-11,16,24H,12-15,17H2,1H3;1H